7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine

C18H17ClN2O3 — CID 142619023

IUPAC7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine
SMILESCOc1ccc(-c2c(OC)nc3cc(Cl)ccc3c2N)cc1OC
InChIInChI=1S/C18H17ClN2O3/c1-22-14-7-4-10(8-15(14)23-2)16-17(20)12-6-5-11(19)9-13(12)21-18(16)24-3/h4-9H,1-3H3,(H2,20,21)
InChIKeyPEFYOQRCTZUWAX-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.16
Rot. Bonds4

About 7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine

7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine (PubChem CID 142619023) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine.

Molecular Properties

Compound Name7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine
PubChem CID142619023
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine
SMILESCOc1ccc(-c2c(OC)nc3cc(Cl)ccc3c2N)cc1OC
InChIInChI=1S/C18H17ClN2O3/c1-22-14-7-4-10(8-15(14)23-2)16-17(20)12-6-5-11(19)9-13(12)21-18(16)24-3/h4-9H,1-3H3,(H2,20,21)
InChIKeyPEFYOQRCTZUWAX-UHFFFAOYSA-N
XLogP4.16
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine
CID 64983945
5-chloro-2-(3,4-dimethoxyphenyl)aniline
CID 81274731
5-chloro-2-(3,4-dimethoxyphenyl)-1,3-benzothiazole
CID 11659503
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 22626608
7-chloro-4-methoxy-2-methylquinoline
CID 82581159
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459
5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline
CID 79527850
4-chloro-2-(3,4-dimethoxyphenyl)pyridine
CID 102825072
[4-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)-2-methoxyphenyl] acetate
CID 752385
4,7-dichloro-2-methoxyquinoline
CID 21101818
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine?
The IUPAC name of 7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine (CID 142619023) is 7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine.
What is the SMILES notation for 7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine?
The canonical SMILES for 7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine is COc1ccc(-c2c(OC)nc3cc(Cl)ccc3c2N)cc1OC.
What is the InChIKey of 7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine?
The InChIKey is PEFYOQRCTZUWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-22-14-7-4-10(8-15(14)23-2)16-17(20)12-6-5-11(19)9-13(12)21-18(16)24-3/h4-9H,1-3H3,(H2,20,21).
What are the key properties of 7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine?
7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine has a molecular weight of 344.80 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,4-dimethoxyphenyl)-2-methoxyquinolin-4-amine is sourced from PubChem (CID 142619023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).